Di-n-butylacetaldehyde

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    18459-51-3

    Molecular formula
    C10H20O

    SMILES
    CCCCC(CCCC)C=O

    Safety labels

    Flammable
    Flammable

    Irritant
    Irritant

  • Odor profile

    Fruity 62.55%
    Green 59.15%
    Fatty 57.47%
    Citrus 57.19%
    Fresh 46.07%
    Waxy 42.57%
    Aldehydic 42.36%
    Orange 39.65%
    Herbal 35.65%
    Sweet 35.03%

    Scent© AI

  • Properties

    XLogP3-AA
    3.6

    Molecular weight
    156.26 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately fast

    Boiling point est.
    199°C

    Flash point est.
    74.96 ˚C

  • Synonyms

    • 2-butylhexanal
    • Di-n-butylacetaldehyde
    • 18459-51-3
    • DTXSID70391619
    • DI-N-BUTYLACETALDEHYDE 98
    • 2-butyl-hexanal
    • dibutylacetaldehyde
    • Di-N-butylacetaldehyde,98%
    • Di-n-butylacetaldehyde, 98%
    • SCHEMBL348615
    • DTXCID30342480
    • AKOS015912815
    • 623-200-5

  • Applications

    Di-n-butylacetaldehyde (CAS 18459-51-3) is used mainly as a hydrophobic, bulky aliphatic aldehyde intermediate: reduction to secondary/tertiary alcohols, oxidation to acids or conversion to esters for plasticizers and lubricants; formation of acetals, oximes/hydrazones, enamines and imines as protecting groups or crosslinkers in coatings, adhesives and resins; participation in aldol/Knoevenagel/Michael condensations to build long-branched backbones for fragrance, flavor and surfactant precursors; reductive amination to access lipophilic tertiary amines for pharma/agro actives; as a building block and molecular-weight regulator/additive in acrylate polymer synthesis; and as an intermediate toward UV stabilizers, antioxidants and other performance additives.

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 4423.49
    methanol 2711.8
    isopropanol 5563.39
    water 0.11
    ethyl acetate 4970.52
    n-propanol 4566.94
    acetone 7231.11
    n-butanol 4573.43
    acetonitrile 4483.46
    DMF 4652.12
    toluene 2018.89
    isobutanol 3961.02
    1,4-dioxane 4822.07
    methyl acetate 3610.7
    THF 8472.42
    2-butanone 5624.15
    n-pentanol 2512.75
    sec-butanol 4337.4
    n-hexane 2182.47
    ethylene glycol 271.55
    NMP 3510.36
    cyclohexane 3428.1
    DMSO 3675.87
    n-butyl acetate 6281.39
    n-octanol 1304.48
    chloroform 10687.98
    n-propyl acetate 3361.16
    acetic acid 2154.5
    dichloromethane 10020.82
    cyclohexanone 8762.23
    propylene glycol 697.05
    isopropyl acetate 3161.05
    DMAc 2033.57
    2-ethoxyethanol 1741.79
    isopentanol 4015.46
    n-heptane 1534.0
    ethyl formate 2984.28
    1,2-dichloroethane 7009.95
    n-hexanol 3888.23
    2-methoxyethanol 3183.7
    isobutyl acetate 1890.95
    tetrachloromethane 2387.62
    n-pentyl acetate 2622.05
    transcutol 4707.84
    n-heptanol 1356.22
    ethylbenzene 1111.48
    MIBK 2553.72
    2-propoxyethanol 3353.71
    tert-butanol 5761.59
    MTBE 5095.09
    2-butoxyethanol 1742.35
    propionic acid 2698.68
    o-xylene 1072.41
    formic acid 295.08
    diethyl ether 5406.15
    m-xylene 1244.66
    p-xylene 1514.01
    chlorobenzene 3429.25
    dimethyl carbonate 661.94
    n-octane 461.95
    formamide 551.53
    cyclopentanone 7671.92
    2-pentanone 5268.72
    anisole 1694.03
    cyclopentyl methyl ether 4400.86
    gamma-butyrolactone 6783.72
    1-methoxy-2-propanol 2871.53
    pyridine 5951.71
    3-pentanone 3039.68
    furfural 4255.06
    n-dodecane 211.84
    diethylene glycol 1253.25
    diisopropyl ether 1619.05
    tert-amyl alcohol 3963.18
    acetylacetone 3549.81
    n-hexadecane 251.0
    acetophenone 1520.86
    methyl propionate 2909.37
    isopentyl acetate 4521.53
    trichloroethylene 10594.98
    n-nonanol 1059.93
    cyclohexanol 4595.69
    benzyl alcohol 1270.67
    2-ethylhexanol 2579.72
    isooctanol 1179.66
    dipropyl ether 3942.26
    1,2-dichlorobenzene 2767.95
    ethyl lactate 838.41
    propylene carbonate 3991.18
    n-methylformamide 2295.63
    2-pentanol 3485.19
    n-pentane 1741.41
    1-propoxy-2-propanol 3440.83
    1-methoxy-2-propyl acetate 2816.58
    2-(2-methoxypropoxy) propanol 1106.69
    mesitylene 853.57
    ε-caprolactone 5652.67
    p-cymene 937.44
    epichlorohydrin 6739.42
    1,1,1-trichloroethane 7697.35
    2-aminoethanol 917.47
    morpholine-4-carbaldehyde 2850.33
    sulfolane 5834.44
    2,2,4-trimethylpentane 470.5
    2-methyltetrahydrofuran 7282.77
    n-hexyl acetate 2839.61
    isooctane 424.73
    2-(2-butoxyethoxy)ethanol 1601.42
    sec-butyl acetate 2094.85
    tert-butyl acetate 2823.77
    decalin 752.61
    glycerin 627.66
    diglyme 3108.27
    acrylic acid 1655.25
    isopropyl myristate 1020.56
    n-butyric acid 5743.04
    acetyl acetate 2014.96
    di(2-ethylhexyl) phthalate 642.37
    ethyl propionate 2407.23
    nitromethane 3554.06
    1,2-diethoxyethane 3238.46
    benzonitrile 2856.79
    trioctyl phosphate 572.93
    1-bromopropane 6361.41
    gamma-valerolactone 6723.01
    n-decanol 740.19
    triethyl phosphate 828.74
    4-methyl-2-pentanol 1643.31
    propionitrile 4820.6
    vinylene carbonate 3026.65
    1,1,2-trichlorotrifluoroethane 3111.04
    DMS 1343.44
    cumene 736.72
    2-octanol 1103.83
    2-hexanone 3417.0
    octyl acetate 1140.91
    limonene 1846.87
    1,2-dimethoxyethane 4151.16
    ethyl orthosilicate 876.98
    tributyl phosphate 781.9
    diacetone alcohol 2317.11
    N,N-dimethylaniline 990.05
    acrylonitrile 4268.54
    aniline 2156.93
    1,3-propanediol 1767.19
    bromobenzene 3945.0
    dibromomethane 8050.68
    1,1,2,2-tetrachloroethane 8303.31
    2-methyl-cyclohexyl acetate 1727.01
    tetrabutyl urea 934.74
    diisobutyl methanol 1404.93
    2-phenylethanol 1551.29
    styrene 1545.81
    dioctyl adipate 1190.83
    dimethyl sulfate 937.78
    ethyl butyrate 3342.74
    methyl lactate 885.2
    butyl lactate 1544.8
    diethyl carbonate 1718.87
    propanediol butyl ether 1322.21
    triethyl orthoformate 1870.9
    p-tert-butyltoluene 905.61
    methyl 4-tert-butylbenzoate 1166.53
    morpholine 6617.08
    tert-butylamine 4607.11
    n-dodecanol 555.77
    dimethoxymethane 2346.65
    ethylene carbonate 3018.73
    cyrene 821.82
    2-ethoxyethyl acetate 2139.66
    2-ethylhexyl acetate 3452.13
    1,2,4-trichlorobenzene 2786.25
    4-methylpyridine 5276.69
    dibutyl ether 2855.86
    2,6-dimethyl-4-heptanol 1404.93
    DEF 4279.84
    dimethyl isosorbide 1965.54
    tetrachloroethylene 5385.55
    eugenol 1021.24
    triacetin 1445.37
    span 80 1312.7
    1,4-butanediol 612.36
    1,1-dichloroethane 9007.35
    2-methyl-1-pentanol 2036.58
    methyl formate 1480.58
    2-methyl-1-butanol 3233.79
    n-decane 431.55
    butyronitrile 6358.76
    3,7-dimethyl-1-octanol 1375.06
    1-chlorooctane 1377.78
    1-chlorotetradecane 465.09
    n-nonane 504.42
    undecane 285.48
    tert-butylcyclohexane 637.98
    cyclooctane 796.82
    cyclopentanol 4685.47
    tetrahydropyran 8989.17
    tert-amyl methyl ether 2932.33
    2,5,8-trioxanonane 1660.81
    1-hexene 4392.35
    2-isopropoxyethanol 1477.78
    2,2,2-trifluoroethanol 554.22
    methyl butyrate 4104.77

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Mentha x gentilis nm. hirtella Mentha x gentilis (L.) nm hirtella Markl., fam Lamiaceae (Labiatae) 2.8%